Protein Graph Library
☆1,169Mar 20, 2026Updated 2 weeks ago
Alternatives and similar repositories for graphein
Users that are interested in graphein are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆268Apr 27, 2025Updated 11 months ago
- ATOM3D: tasks on molecules in three dimensions☆318Mar 2, 2023Updated 3 years ago
- Listing of papers about machine learning for proteins.☆1,694May 31, 2024Updated last year
- Working with molecular structures in pandas DataFrames☆752Aug 1, 2024Updated last year
- Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2☆3,316Dec 16, 2025Updated 3 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆541Feb 19, 2025Updated last year
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆387Sep 16, 2025Updated 6 months ago
- A powerful and flexible machine learning platform for drug discovery☆1,574Aug 12, 2024Updated last year
- Evolutionary Scale Modeling (esm): Pretrained language models for proteins☆4,013Feb 7, 2024Updated 2 years ago
- Versatile computational pipeline for processing protein structure data for deep learning applications.☆275Feb 14, 2024Updated 2 years ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,471May 2, 2025Updated 11 months ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆738Jun 19, 2024Updated last year
- An all-atom protein structure dataset for machine learning.☆363Mar 16, 2024Updated 2 years ago
- A comprehensive library for computational molecular biology☆936Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science☆1,224Jul 13, 2025Updated 8 months ago
- A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)☆1,143Jun 10, 2024Updated last year
- Diffusion models of protein structure; trigonometry and attention are all you need!☆566Dec 12, 2023Updated 2 years ago
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆694Jan 7, 2026Updated 2 months ago
- Interaction Fingerprints for protein-ligand complexes and more☆483Mar 26, 2026Updated last week
- List of papers about Proteins Design using Deep Learning☆1,912Mar 28, 2026Updated last week
- A collection of *fold* tools☆303Aug 8, 2025Updated 7 months ago
- Implementation for SE(3) diffusion model with application to protein backbone generation☆416Jul 3, 2023Updated 2 years ago
- Making Protein folding accessible to all!☆2,696Mar 17, 2026Updated 2 weeks ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit a…☆1,295May 22, 2025Updated 10 months ago
- Standardized data set for machine learning of protein structure☆913Nov 18, 2020Updated 5 years ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆408Mar 21, 2026Updated 2 weeks ago
- Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different dom…☆734Dec 11, 2022Updated 3 years ago
- ☆244May 22, 2023Updated 2 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆2,315Mar 26, 2026Updated last week
- Molecular Processing Made Easy.☆533Jun 10, 2024Updated last year
- Protein Ligand INteraction Dataset and Evaluation Resource☆280Mar 24, 2026Updated last week
- Protein structure datasets for machine learning.☆115Apr 22, 2025Updated 11 months ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- A dependency-free cross-platform swiss army knife for PDB files.☆449Feb 3, 2026Updated 2 months ago
- PDBFixer fixes problems in PDB files☆636Mar 10, 2026Updated 3 weeks ago
- MoleculeKit: Your favorite molecule manipulation kit☆236Updated this week
- Python package for graph neural networks in chemistry and biology☆796Nov 1, 2023Updated 2 years ago
- Making Protein Design accessible to all via Google Colab!☆898Mar 10, 2026Updated 3 weeks ago
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆317Jun 13, 2025Updated 9 months ago
- A Euclidean diffusion model for structure-based drug design.☆499Jun 25, 2025Updated 9 months ago